Chemical Properties of Zeranol (CAS 26538-44-3)

InChI

InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3

InChI Key

DWTTZBARDOXEAM-UHFFFAOYSA-N

Formula

C18H26O5

SMILES

CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1

Molecular Weight¹

322.40

CAS

26538-44-3

Other Names

• 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, [3S-(3R*,7S*)]-
• 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S,7R)-(+)-
• MK-188
• P 1496
• Ralgro
• Zearalanol
• Zearanol
• 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S,7X)-
• 6-(6,10-Dihydroxyundecyl)-«beta»-resorcylic acid, «mu»-lactone
• Frideron
• Ralabol
• Ralone
• (3S,7X)-3,4,5,6,7,8,9,10,11,12-Decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one
• (6X,10S)-6-(6,10-Dihydroxyundecyl)-«beta»-resorcylic acid «mu»-lactone
• THFES(HM)
• 7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one-, (3S-(3R*,7S*))-
• 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S,7R)-
• «alpha»-Zearalanol
• Zeranol (2,4-Dihydroxy-6-(6A,10-dihydroxy-trans-1-undecenylbenzoic acid) mu-lactone), TMS

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.56	kJ/mol	Joback Calculated Property
logPoct/wat	3.291		Crippen Calculated Property
McVol	254.910	ml/mol	McGowan Calculated Property
Inp	[2842.00; 2842.00]
Inp	2842.00		NIST
Inp	2842.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.82; 896.87]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.00370e+02
Coefficient B			1.92102e+00
Coefficient C			-1.20808e-03
Coefficient D			2.84300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	339.82	J/mol×K	273.00	Calculated Property
Cp,gas	440.63	J/mol×K	353.78	Calculated Property
Cp,gas	529.62	J/mol×K	434.56	Calculated Property
Cp,gas	607.68	J/mol×K	515.33	Calculated Property
Cp,gas	675.70	J/mol×K	596.11	Calculated Property
Cp,gas	734.60	J/mol×K	676.89	Calculated Property
Cp,gas	785.27	J/mol×K	757.67	Calculated Property
Cp,gas	828.60	J/mol×K	838.44	Calculated Property
Cp,gas	865.50	J/mol×K	919.22	Calculated Property
Cp,gas	896.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000007; 1.5400088e-08]	Pa×s	[647.21; 860.82]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.94342e+01
Coefficient B			9.85241e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			647.21
Temperature range, max.			860.82
η	0.0000007	Pa×s	647.21	Calculated Property
η	0.0000004	Pa×s	670.94	Calculated Property
η	0.0000002	Pa×s	694.68	Calculated Property
η	0.0000001	Pa×s	718.41	Calculated Property
η	9.6020228e-08	Pa×s	742.15	Calculated Property
η	6.3633964e-08	Pa×s	765.88	Calculated Property
η	4.3227155e-08	Pa×s	789.62	Calculated Property
η	3.0034845e-08	Pa×s	813.35	Calculated Property
η	2.1304017e-08	Pa×s	837.09	Calculated Property
η	1.5400088e-08	Pa×s	860.82	Calculated Property

Similar Compounds

Find more compounds similar to Zeranol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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